CID 119930

1,3,5-triphenylcyclohexane

Structural Information

Molecular Formula
C24H24
SMILES
C1C(CC(CC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2
InChIKey
YVPJVAWPIRGOJN-UHFFFAOYSA-N
Compound name
(3,5-diphenylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

44
Patents

312.1878 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19508 177.0
[M+Na]+ 335.17702 180.6
[M-H]- 311.18052 187.9
[M+NH4]+ 330.22162 190.1
[M+K]+ 351.15096 173.6
[M+H-H2O]+ 295.18506 166.3
[M+HCOO]- 357.18600 196.0
[M+CH3COO]- 371.20165 186.5
[M+Na-2H]- 333.16247 179.6
[M]+ 312.18725 170.2
[M]- 312.18835 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe